CID 9588318

Brn 4589514

Structural Information

Molecular Formula
C16H17Cl2N3O5S
SMILES
CC(C)(C)OC(=O)NN/C=N/C1=CC=C(O1)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H17Cl2N3O5S/c1-16(2,3)26-15(22)21-20-9-19-13-6-7-14(25-13)27(23,24)10-4-5-11(17)12(18)8-10/h4-9H,1-3H3,(H,19,20)(H,21,22)
InChIKey
JTCBVUCSXLFVOC-UHFFFAOYSA-N
Compound name
tert-butyl N-[[(E)-[5-(3,4-dichlorophenyl)sulfonylfuran-2-yl]iminomethyl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.0266 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.03388 201.0
[M+Na]+ 456.01582 208.9
[M-H]- 432.01932 210.3
[M+NH4]+ 451.06042 213.1
[M+K]+ 471.98976 205.0
[M+H-H2O]+ 416.02386 195.4
[M+HCOO]- 478.02480 211.9
[M+CH3COO]- 492.04045 226.8
[M+Na-2H]- 454.00127 204.0
[M]+ 433.02605 210.6
[M]- 433.02715 210.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.